SCHEMBL15980668

SCHEMBL15980668

Cc1nc(C(C)C)ccc1-c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.43
XBP1 P17861 1/20 0.43
KLF5 Q13887 1/20 0.43
ADRA2C P18825 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CHKA P35790 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15980669 0.84 ADRA2C (0.44) KDM4ENPC1RAB9ASMN1; SMN2ADRA2C
SCHEMBL15984854 0.82 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14851170 0.80 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20203393 0.76 CDK4 (0.43) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15980670 0.75 KDM5B (0.38) KDM5B
SCHEMBL15980657 0.72 PSMB5 (0.42) KDM4EMAPTALDH1A1ESR2
SCHEMBL10255132 0.71 MAPT (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15980603 0.71 BRD4 (0.40) KDM5B
SCHEMBL15980679 0.71 PDE3B (0.40) MAPTKMT2A
SCHEMBL15980684 0.70 KDM5B (0.43) KDM4ENPC1RAB9AKDM5B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK KDM4E 472/4885NPC1 3845/4885RAB9A 3653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.